(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-methylphenyl)methanamine

C17H19NO — CID 43297145

IUPAC(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C17H19NO/c1-11-5-3-4-6-15(11)17(18)13-7-8-16-14(10-13)9-12(2)19-16/h3-8,10,12,17H,9,18H2,1-2H3
InChIKeyPLPSCVXCZSMCAX-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.37
Rot. Bonds2

About (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-methylphenyl)methanamine

(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-methylphenyl)methanamine (PubChem CID 43297145) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-methylphenyl)methanamine
PubChem CID43297145
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C17H19NO/c1-11-5-3-4-6-15(11)17(18)13-7-8-16-14(10-13)9-12(2)19-16/h3-8,10,12,17H,9,18H2,1-2H3
InChIKeyPLPSCVXCZSMCAX-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-methylphenyl)methanamine?
The IUPAC name of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-methylphenyl)methanamine (CID 43297145) is (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-methylphenyl)methanamine.
What is the SMILES notation for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-methylphenyl)methanamine?
The canonical SMILES for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-methylphenyl)methanamine is Cc1ccccc1C(N)c1ccc2c(c1)CC(C)O2.
What is the InChIKey of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-methylphenyl)methanamine?
The InChIKey is PLPSCVXCZSMCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-11-5-3-4-6-15(11)17(18)13-7-8-16-14(10-13)9-12(2)19-16/h3-8,10,12,17H,9,18H2,1-2H3.
What are the key properties of (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-methylphenyl)methanamine?
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-methylphenyl)methanamine has a molecular weight of 253.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2-methylphenyl)methanamine is sourced from PubChem (CID 43297145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).